![#16;PHENYL-[METHYL-(5-ACETAMIDO-4,8,9-TRI-O-BENZOYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYL)-ONATE]-(2->3)-O-4,6-DI-O-BENZOYL-BETA-D-GLUCOPYRAN](/api/spectrum/Imf8SbIPQiC/structure.png?h=300&w=458 "#16;PHENYL-[METHYL-(5-ACETAMIDO-4,8,9-TRI-O-BENZOYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYL)-ONATE]-(2->3)-O-4,6-DI-O-BENZOYL-BETA-D-GLUCOPYRAN")
| SpectraBase Compound ID | 9Bm1RPfcDZu |
|---|---|
| InChI | InChI=1S/C86H77NO26S/c1-52(88)87-66-62(104-78(94)56-36-18-6-19-37-56)48-86(85(99)100-2,112-71(66)67(89)63(105-79(95)57-38-20-7-21-39-57)49-101-75(91)53-30-12-3-13-31-53)113-72-68(90)83(106-64(50-102-76(92)54-32-14-4-15-33-54)69(72)108-80(96)58-40-22-8-23-41-58)111-70-65(51-103-77(93)55-34-16-5-17-35-55)107-84(114-61-46-28-11-29-47-61)74(110-82(98)60-44-26-10-27-45-60)73(70)109-81(97)59-42-24-9-25-43-59/h3-47,62-74,83-84,89-90H,48-51H2,1-2H3,(H,87,88)/t62-,63-,64+,65-,66+,67+,68+,69-,70-,71+,72+,73+,74-,83-,84+,86-/m0/s1 |
| InChIKey | JLOUACUMQPLRPR-KZLXILHWSA-N |
| Mol Weight | 1572.6 g/mol |
| Molecular Formula | C86H77NO26S |
| Exact Mass | 1571.445453 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Imf8SbIPQiC |
|---|---|
| Name | #16;PHENYL-[METHYL-(5-ACETAMIDO-4,8,9-TRI-O-BENZOYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYL)-ONATE]-(2->3)-O-4,6-DI-O-BENZOYL-BETA-D-GLUCOPYRAN |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C86H77NO26S |
| InChI | InChI=1S/C86H77NO26S/c1-52(88)87-66-62(104-78(94)56-36-18-6-19-37-56)48-86(85(99)100-2,112-71(66)67(89)63(105-79(95)57-38-20-7-21-39-57)49-101-75(91)53-30-12-3-13-31-53)113-72-68(90)83(106-64(50-102-76(92)54-32-14-4-15-33-54)69(72)108-80(96)58-40-22-8-23-41-58)111-70-65(51-103-77(93)55-34-16-5-17-35-55)107-84(114-61-46-28-11-29-47-61)74(110-82(98)60-44-26-10-27-45-60)73(70)109-81(97)59-42-24-9-25-43-59/h3-47,62-74,83-84,89-90H,48-51H2,1-2H3,(H,87,88)/t62-,63-,64+,65-,66+,67+,68+,69-,70-,71+,72+,73+,74-,83-,84+,86-/m0/s1 |
| InChIKey | JLOUACUMQPLRPR-KZLXILHWSA-N |
| Literature Reference Author | S.MEHTA,M.GILBERT,W.W.WAKARCHUK,D.M.WHITFIELD |
| Literature Reference Citation | ORG.LETTERS,2,751(2000) |
| Literature Reference DOI | 10.1021/ol990406k |
| Molecular Weight | 1572.608 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU33363 |